3-methyl-N-(2-phenylethyl)-1,2,4-thiadiazole-5-carboxamide

C12H13N3OS — CID 71807156

IUPAC3-methyl-N-(2-phenylethyl)-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NCCc2ccccc2)n1
InChIInChI=1S/C12H13N3OS/c1-9-14-12(17-15-9)11(16)13-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,16)
InChIKeyYJDQGJOTAYQFEF-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.82
Rot. Bonds4

About 3-methyl-N-(2-phenylethyl)-1,2,4-thiadiazole-5-carboxamide

3-methyl-N-(2-phenylethyl)-1,2,4-thiadiazole-5-carboxamide (PubChem CID 71807156) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-methyl-N-(2-phenylethyl)-1,2,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-phenylethyl)-1,2,4-thiadiazole-5-carboxamide
PubChem CID71807156
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name3-methyl-N-(2-phenylethyl)-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NCCc2ccccc2)n1
InChIInChI=1S/C12H13N3OS/c1-9-14-12(17-15-9)11(16)13-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,16)
InChIKeyYJDQGJOTAYQFEF-UHFFFAOYSA-N
XLogP1.82
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807178
(3,4-dihydroisoquinolin-2(1H)-yl)(3-methyl-1,2,4-thiadiazol-5-yl)methanone
CID 71807125
N-(2-chlorobenzyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807147
3-methyl-N-(4-sulfamoylphenethyl)-1,2,4-thiadiazole-5-carboxamide
CID 71807157
3-methyl-N-(3-phenylpropyl)-1,2,4-thiadiazole-5-carboxamide
CID 71807159
N-(2,6-difluorobenzyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807165
N-(4-chlorophenethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807168
N-[(4-fluorophenyl)methyl]-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]acetamide
CID 71983386
N-benzyl-N-(2-hydroxyethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807108
(4-Benzylpiperidin-1-yl)(3-methyl-1,2,4-thiadiazol-5-yl)methanone
CID 71807116
3-phenyl-N-(2-sulfanylethyl)-1,2,4-thiadiazole-5-carboxamide
CID 177680070
2-[benzyl-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-pentylacetamide
CID 4326975

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-phenylethyl)-1,2,4-thiadiazole-5-carboxamide?
The IUPAC name of 3-methyl-N-(2-phenylethyl)-1,2,4-thiadiazole-5-carboxamide (CID 71807156) is 3-methyl-N-(2-phenylethyl)-1,2,4-thiadiazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-phenylethyl)-1,2,4-thiadiazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-(2-phenylethyl)-1,2,4-thiadiazole-5-carboxamide is Cc1nsc(C(=O)NCCc2ccccc2)n1.
What is the InChIKey of 3-methyl-N-(2-phenylethyl)-1,2,4-thiadiazole-5-carboxamide?
The InChIKey is YJDQGJOTAYQFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-9-14-12(17-15-9)11(16)13-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,16).
What are the key properties of 3-methyl-N-(2-phenylethyl)-1,2,4-thiadiazole-5-carboxamide?
3-methyl-N-(2-phenylethyl)-1,2,4-thiadiazole-5-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-phenylethyl)-1,2,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 71807156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).